S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide
TL;DR: S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide (CAS 61554-89-0) is a chemical compound with molecular formula C17H17BrN4OS and molecular weight 404.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl carbamimidothioate;hydrobromide
Also Known As: S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide, 2-((3,4-Dihydro-4-oxo-3-o-tolylquinazolin-2-yl)methyl)-2-thiopseudourea monohydrobromide, Pseudourea, 2-((3,4-dihydro-4-oxo-3-o-tolylquinazolin-2-yl)methyl)-2-thio-, monohydrobromide, [3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl carbamimidothioate hydrobromide, RefChem:375701
| Molecular Formula | C17H17BrN4OS |
|---|---|
| Molecular Weight | 404.03 g/mol |
| LogP | 3.39869 |
| Topological Polar Surface Area | 84.76 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.03064 |
| Heavy Atoms | 24 |
| Complexity | 954.71857 |
Chemical Identifiers
| CAS Number | 61554-89-0 |
|---|---|
| SMILES | CC1=CC=CC=C1N2C(=NC3=CC=CC=C3C2=O)CSC(=N)N.Br |
Product Overview
S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide (CAS 61554-89-0), with molecular formula C17H17BrN4OS and molecular weight 404.03 g/mol. IUPAC: [3-(2-methylphenyl)-4-oxoquinazolin-2-yl]methyl carbamimidothioate;hydrobromide.
Chemical Property Profile of S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide
Property Insights of S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide
The XLogP value of 3.39869 indicates that S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.76 Ų falls within the moderate polarity range, balancing permeability and solubility for S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide. Following Lipinski's Rule of Five, S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide?
The CAS number of S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide is 61554-89-0.
What is the molecular formula of S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide?
The molecular formula of S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide is C17H17BrN4OS.
What is the molecular weight of S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide?
The molecular weight of S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide is 404.03 g/mol.
Where can I buy S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide?
You can request a quote for S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide?
Yes, KEHONG BIO provides custom synthesis services for S-3-(o-Tolyl)-4(3H)-oxoquinazolin-2-ylmethylthiouronium bromide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.